Related papers: Time-dependent density-matrix functional theory fo…
We analyze possible nonlinear exciton-exciton correlation effects in the optical response of semiconductors by using a time-dependent density-functional theory (TDDFT) approach. For this purpose, we derive the nonlinear (third-order) TDDFT…
Excitons, trions, biexcitons, and exciton-trion complexes in two-dimensional transition metal dichalcogenide sheets of MoS$_2$, MoSe$_2$, MoTe$_2$, WS$_2$ and WSe$_2$ are studied by means of density functional theory and path integral Monte…
Specific matrix elements of exchange and correlation kernels in time-dependent density-functional theory are computed. The knowledge of these matrix elements not only constraints approximate time-dependent functionals, but also allows to…
Photoluminescence spectra, shows that monolayer Transition-metal dichalcogenides (MLTMDCs), possess charged exciton binding energies, conspicuously similar to the energy of optical phonons. This enigmatic coincidence has offered…
We report on the exciton and trion density dynamics in a single layer of MoSe$_2$, resonantly excited and probed using three-pulse four-wave mixing (FWM), at temperatures from 300K to 77K . A multi-exponential third-order response function…
We examine the excitonic properties of layered configurations of low dimensional transition metal dichalcogenides (LTMDCs) using the fractional dimensional space approach. The binding energies of the exciton, trion and biexciton in LTMDCs…
Unconventional emissions from exciton and trion in monolayer WS2 are studied by photoexcitation. Excited by 532nm laser beam, the carrier species in the monolayer WS2 are affected by the excess electrons escaping from photoionization of…
We map the three-body problem in two dimensions onto one particle in a three dimensional potential treatable by a purposely-developed boundary-matching-matrix method. We evaluate binding energies of trions $X^{\pm}$, excitons bound by a…
The ultrathin transition metal dichalcogenides (TMDs) have emerged as promising materials for various applications using two dimensional (2D) semiconductors. They have attracted increasing attention due to their unique optical properties…
Linear-response time-dependent density-functional theory (TDDFT) can describe excitonic features in the optical spectra of insulators and semiconductors, using exchange-correlation (xc) kernels behaving as $-1/k^{2}$ to leading order. We…
Time-dependent density functional theory (TDDFT) has been applied to the calculation of absorption spectra for two-dimensional atomic layer materials. We reveal that the character of the first bright exciton state of bi-layer hexagonal…
We present a microscopic theory of neutral excitons and charged excitons (trions) in monolayers of transition metal dichalcogenides, including molybdenum disulfide. Our theory is based on an effective mass model of excitons and trions,…
We theoretically investigate the corrections of exciton binding energy in monolayer transition metal dichalcogenides (TMDs) due to the exciton-optical phonon coupling in the Fr$\ddot{o}$hlich interaction model by using the linear operator…
Charged excitons, or X$^{\pm}$-trions, in monolayer transition metal dichalcogenides have binding energies of several tens of meV. Together with the neutral exciton X$^0$ they dominate the emission spectrum at low and elevated temperatures.…
Multi-configuration range-separated density-functional theory is extended to the time-dependent regime. An exact variational formulation is derived. The approximation, which consists in combining a long-range…
Monolayer photonic materials offer a tremendous potential for on-chip optoelectronic devices. Their realization requires knowledge of optical coherence properties of excitons and trions that have so far been limited to nonlinear optical…
We investigate the properties of trions in transition metal dichalcogenides (TMDCs) monolayers using the Gaussian Expansion Method (GEM) adapted to two-dimensional systems. Excitons and trions in monolayer TMDCs with the chemical…
Excitons are electron-hole pairs appearing below the band gap in insulators and semiconductors. They are vital to photovoltaics, but are hard to obtain with time-dependent density-functional theory (TDDFT), since most standard…
We formulate a time-dependent density-matrix functional theory (TDDMFT) approach for higher-order correlation effects like biexcitons in optical processes in solids based on the reduced two-particle density-matrix formalism within the…
Strong Coulomb interactions in single-layer transition metal dichalcogenides (TMDs) result in the emergence of strongly bound excitons, trions and biexcitons. These excitonic complexes possess the valley degree of freedom, which can be…